methyl (2R)-2-[[(2S)-4-(3-fluorophenyl)carbonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-4-(3-fluorophenyl)carbonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2S)-4-[(3-fluorophenyl)-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(2-thenoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C26H25FN4O5S MolecularWeight: 524.563903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H]2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H25FN4O5S/c1-36-26(35)20(13-17-5-3-9-28-15-17)29-23(32)21-16-30(24(33)18-6-2-7-19(27)14-18)10-11-31(21)25(34)22-8-4-12-37-22/h2-9,12,14-15,20-21H,10-11,13,16H2,1H3,(H,29,32)/t20-,21+/m1/s1